N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

C14H13FN2O2S2 — CID 39966198

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)NC2=NCCS2)sc2cccc(F)c12
InChIInChI=1S/C14H13FN2O2S2/c1-19-7-8-11-9(15)3-2-4-10(11)21-12(8)13(18)17-14-16-5-6-20-14/h2-4H,5-7H2,1H3,(H,16,17,18)
InChIKeyYTTRXEXABMZPJJ-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.02
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (PubChem CID 39966198) has the molecular formula C14H13FN2O2S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
PubChem CID39966198
Molecular FormulaC14H13FN2O2S2
Molecular Weight324.40 g/mol
Exact Mass324.04
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)NC2=NCCS2)sc2cccc(F)c12
InChIInChI=1S/C14H13FN2O2S2/c1-19-7-8-11-9(15)3-2-4-10(11)21-12(8)13(18)17-14-16-5-6-20-14/h2-4H,5-7H2,1H3,(H,16,17,18)
InChIKeyYTTRXEXABMZPJJ-UHFFFAOYSA-N
XLogP3.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (CID 39966198) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is COCc1c(C(=O)NC2=NCCS2)sc2cccc(F)c12.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is YTTRXEXABMZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S2/c1-19-7-8-11-9(15)3-2-4-10(11)21-12(8)13(18)17-14-16-5-6-20-14/h2-4H,5-7H2,1H3,(H,16,17,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 39966198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).